| SpectraBase Compound ID | AwLJ51635U8 |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-12-3-9-2-10(4-12)6-13(5-9,8-12)7-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+,12-,13+ |
| InChIKey | OIASGIUDXARLDU-NIFPGPBJSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnstQ2QGT8z |
|---|---|
| Name | 3-Methyl-1-adamantaneacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-12-3-9-2-10(4-12)6-13(5-9,8-12)7-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+,12-,13+ |
| InChIKey | OIASGIUDXARLDU-NIFPGPBJSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C[C@]12C[C@]3(C[C@@](C2)(C[C@](C1)(CC(=O)O)C3)[H])[H] |